Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPR | P35270 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | CRBN | Q96SW2 | 2/20 | 0.32 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL29618311 | 0.84 | SPR (0.45) | SPRCYP11B2MAPK1ATMKDM4E | |
| SCHEMBL5054886 | 0.84 | KDM4E (0.45) | SPRCYP11B2MAPK1ATMKDM4E | |
| SCHEMBL7912928 | 0.83 | KDM4E (0.44) | SPRCYP11B2MAPK1ATMKDM4E | |
| SCHEMBL21782979 | 0.72 | NNMT (0.40) | SPRCYP11B2MAPK1ATMTRPA1 | |
| SCHEMBL28758445 | 0.72 | HDAC3 (0.40) | SPRLMNANPC1RAB9ANFKB1 | |
| SCHEMBL24401270 | 0.71 | MAPK1 (0.43) | CYP11B2MAPK1ATMTRPA1KDM4E | |
| SCHEMBL722849 | 0.71 | MAPK1 (0.41) | SPRCYP11B2MAPK1ATMKDM4E | |
| SCHEMBL10207558 | 0.71 | CHRM3 (0.42) | SPRCYP11B2MAPK1ATMKDM4E | |
| SCHEMBL2302354 | 0.71 | RXRA (0.37) | MAPK1KDM4EALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL719328 | 0.70 | MAPK1 (0.40) | SPRCYP11B2MAPK1ATMKDM4E |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020043658-A1 | HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2020-03-05 | — | — | WO | disclosed |